General Information of the Compound
| Compound ID |
CP0417927
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| Compound Name |
1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
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| Structure |
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| Formula |
C29H28N2O4
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| Molecular Weight |
468.553
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(OCCO)c2)c2ccc(OCC#C)cc12
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| InChI |
InChI=1S/C29H28N2O4/c1-4-15-34-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(33)31(27)19-21-6-5-7-24(17-21)35-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3
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| InChIKey |
AMLKCBXPVBOXAU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound